2-chloranyl-N-(3-imidazol-1-ylpropyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(3-imidazol-1-ylpropyl)-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-(3-imidazol-1-ylpropyl)-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[3-(1-imidazolyl)propyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-(3-imidazol-1-ylpropyl)-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-(3-imidazol-1-ylpropyl)-5-nitro-benzenesulfonamide Formula: C12H13ClN4O4S MolecularWeight: 344.77402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN2C=CN=C2)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN2C=CN=C2)Cl

InChI

InChI=1S/C12H13ClN4O4S/c13-11-3-2-10(17(18)19)8-12(11)22(20,21)15-4-1-6-16-7-5-14-9-16/h2-3,5,7-9,15H,1,4,6H2